USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 488 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 128 SER OG : rot 180:sc= -0.173 USER MOD Single : A 129 TYR OH : rot 33:sc= 0.552 USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 134 LYS NZ :NH3+ 163:sc= -0.0705 (180deg=-0.412) USER MOD Single : A 136 GLN : amide:sc= -1.27 K(o=-1.3,f=-2) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -0.0499 K(o=-0.05,f=-0.62) USER MOD Single : A 142 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.077) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 151 MET CE :methyl 175:sc= -1.12 (180deg=-1.19) USER MOD Single : A 152 LYS NZ :NH3+ 165:sc= -0.857 (180deg=-1.05) USER MOD Single : A 155 LYS NZ :NH3+ 163:sc= -0.0352 (180deg=-0.282) USER MOD Single : A 156 SER OG : rot -79:sc= 0.182 USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 169 SER OG : rot 68:sc= 1.21 USER MOD Single : A 170 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.81) USER MOD Single : A 173 LYS NZ :NH3+ 168:sc= -0.0343 (180deg=-0.192) USER MOD Single : A 175 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.00044) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.0045) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 126 -5.783 8.725 3.140 1.00 0.00 N ATOM 129 CA ALA A 126 -5.309 7.672 2.250 1.00 0.00 C ATOM 130 C ALA A 126 -3.896 7.966 1.762 1.00 0.00 C ATOM 131 O ALA A 126 -3.084 7.055 1.594 1.00 0.00 O ATOM 132 CB ALA A 126 -6.253 7.514 1.066 1.00 0.00 C ATOM 0 HA ALA A 126 -5.289 6.738 2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -5.886 6.724 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.248 7.253 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.302 8.452 0.512 1.00 0.00 H new ATOM 138 N LEU A 127 -3.609 9.244 1.538 1.00 0.00 N ATOM 139 CA LEU A 127 -2.294 9.662 1.067 1.00 0.00 C ATOM 140 C LEU A 127 -1.283 9.667 2.211 1.00 0.00 C ATOM 141 O LEU A 127 -0.088 9.867 1.994 1.00 0.00 O ATOM 142 CB LEU A 127 -2.377 11.054 0.433 1.00 0.00 C ATOM 143 CG LEU A 127 -1.102 11.528 -0.271 1.00 0.00 C ATOM 144 CD1 LEU A 127 -0.780 10.630 -1.457 1.00 0.00 C ATOM 145 CD2 LEU A 127 -1.251 12.974 -0.720 1.00 0.00 C ATOM 0 H LEU A 127 -4.270 10.009 1.675 1.00 0.00 H new ATOM 0 HA LEU A 127 -1.958 8.948 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.194 11.059 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -2.633 11.775 1.210 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.275 11.469 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 127 0.129 10.983 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.632 9.607 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.606 10.656 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.337 13.296 -1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.090 13.056 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.434 13.608 0.148 1.00 0.00 H new ATOM 157 N SER A 128 -1.770 9.442 3.429 1.00 0.00 N ATOM 158 CA SER A 128 -0.908 9.421 4.606 1.00 0.00 C ATOM 159 C SER A 128 0.194 8.376 4.454 1.00 0.00 C ATOM 160 O SER A 128 1.379 8.707 4.443 1.00 0.00 O ATOM 161 CB SER A 128 -1.732 9.136 5.864 1.00 0.00 C ATOM 162 OG SER A 128 -2.389 7.884 5.774 1.00 0.00 O ATOM 0 H SER A 128 -2.756 9.272 3.626 1.00 0.00 H new ATOM 0 HA SER A 128 -0.442 10.402 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 128 -1.081 9.146 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 128 -2.469 9.927 6.006 1.00 0.00 H new ATOM 0 HG SER A 128 -2.906 7.727 6.591 1.00 0.00 H new ATOM 168 N TYR A 129 -0.207 7.112 4.337 1.00 0.00 N ATOM 169 CA TYR A 129 0.746 6.019 4.182 1.00 0.00 C ATOM 170 C TYR A 129 1.409 6.072 2.808 1.00 0.00 C ATOM 171 O TYR A 129 2.602 5.790 2.670 1.00 0.00 O ATOM 172 CB TYR A 129 0.046 4.672 4.378 1.00 0.00 C ATOM 173 CG TYR A 129 0.947 3.479 4.150 1.00 0.00 C ATOM 174 CD1 TYR A 129 1.967 3.174 5.042 1.00 0.00 C ATOM 175 CD2 TYR A 129 0.775 2.659 3.043 1.00 0.00 C ATOM 176 CE1 TYR A 129 2.793 2.086 4.834 1.00 0.00 C ATOM 177 CE2 TYR A 129 1.597 1.568 2.830 1.00 0.00 C ATOM 178 CZ TYR A 129 2.603 1.286 3.727 1.00 0.00 C ATOM 179 OH TYR A 129 3.422 0.203 3.515 1.00 0.00 O ATOM 0 H TYR A 129 -1.185 6.821 4.347 1.00 0.00 H new ATOM 0 HA TYR A 129 1.519 6.129 4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -0.355 4.625 5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -0.802 4.611 3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 129 2.117 3.797 5.912 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -0.013 2.877 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.584 1.863 5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.451 0.940 1.964 1.00 0.00 H new ATOM 0 HH TYR A 129 3.695 -0.175 4.377 1.00 0.00 H new ATOM 189 N LEU A 130 0.627 6.435 1.796 1.00 0.00 N ATOM 190 CA LEU A 130 1.134 6.530 0.434 1.00 0.00 C ATOM 191 C LEU A 130 2.277 7.536 0.355 1.00 0.00 C ATOM 192 O LEU A 130 3.152 7.432 -0.505 1.00 0.00 O ATOM 193 CB LEU A 130 0.013 6.933 -0.525 1.00 0.00 C ATOM 194 CG LEU A 130 -1.147 5.938 -0.620 1.00 0.00 C ATOM 195 CD1 LEU A 130 -2.260 6.499 -1.491 1.00 0.00 C ATOM 196 CD2 LEU A 130 -0.662 4.604 -1.168 1.00 0.00 C ATOM 0 H LEU A 130 -0.361 6.668 1.895 1.00 0.00 H new ATOM 0 HA LEU A 130 1.512 5.551 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -0.382 7.900 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.438 7.069 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.543 5.775 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -3.076 5.779 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -2.627 7.430 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.876 6.691 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.500 3.909 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.240 4.751 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.102 4.195 -0.506 1.00 0.00 H new ATOM 208 N ASP A 131 2.261 8.510 1.260 1.00 0.00 N ATOM 209 CA ASP A 131 3.302 9.531 1.300 1.00 0.00 C ATOM 210 C ASP A 131 4.618 8.929 1.777 1.00 0.00 C ATOM 211 O ASP A 131 5.684 9.252 1.255 1.00 0.00 O ATOM 212 CB ASP A 131 2.887 10.682 2.219 1.00 0.00 C ATOM 213 CG ASP A 131 3.949 11.760 2.309 1.00 0.00 C ATOM 214 OD1 ASP A 131 3.923 12.689 1.476 1.00 0.00 O ATOM 215 OD2 ASP A 131 4.807 11.674 3.213 1.00 0.00 O ATOM 0 H ASP A 131 1.540 8.614 1.974 1.00 0.00 H new ATOM 0 HA ASP A 131 3.440 9.921 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.959 11.120 1.852 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.683 10.292 3.216 1.00 0.00 H new ATOM 220 N GLN A 132 4.533 8.053 2.775 1.00 0.00 N ATOM 221 CA GLN A 132 5.716 7.395 3.315 1.00 0.00 C ATOM 222 C GLN A 132 6.345 6.491 2.264 1.00 0.00 C ATOM 223 O GLN A 132 7.564 6.478 2.088 1.00 0.00 O ATOM 224 CB GLN A 132 5.355 6.583 4.559 1.00 0.00 C ATOM 225 CG GLN A 132 4.834 7.432 5.708 1.00 0.00 C ATOM 226 CD GLN A 132 4.501 6.609 6.936 1.00 0.00 C ATOM 227 OE1 GLN A 132 5.115 5.573 7.191 1.00 0.00 O ATOM 228 NE2 GLN A 132 3.520 7.067 7.706 1.00 0.00 N ATOM 0 H GLN A 132 3.658 7.784 3.225 1.00 0.00 H new ATOM 0 HA GLN A 132 6.438 8.161 3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 132 4.600 5.843 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 132 6.236 6.035 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 132 5.581 8.181 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 132 3.943 7.970 5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 132 3.037 7.930 7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 132 3.250 6.555 8.546 1.00 0.00 H new ATOM 237 N VAL A 133 5.503 5.735 1.566 1.00 0.00 N ATOM 238 CA VAL A 133 5.971 4.834 0.520 1.00 0.00 C ATOM 239 C VAL A 133 6.650 5.617 -0.599 1.00 0.00 C ATOM 240 O VAL A 133 7.708 5.227 -1.092 1.00 0.00 O ATOM 241 CB VAL A 133 4.813 4.011 -0.078 1.00 0.00 C ATOM 242 CG1 VAL A 133 5.332 3.027 -1.116 1.00 0.00 C ATOM 243 CG2 VAL A 133 4.049 3.284 1.019 1.00 0.00 C ATOM 0 H VAL A 133 4.493 5.729 1.706 1.00 0.00 H new ATOM 0 HA VAL A 133 6.686 4.153 0.981 1.00 0.00 H new ATOM 0 HB VAL A 133 4.127 4.697 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 133 4.498 2.456 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 133 5.827 3.573 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 133 6.043 2.346 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 133 3.236 2.709 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 133 4.724 2.611 1.547 1.00 0.00 H new ATOM 0 HG23 VAL A 133 3.639 4.011 1.720 1.00 0.00 H new ATOM 253 N LYS A 134 6.027 6.723 -0.993 1.00 0.00 N ATOM 254 CA LYS A 134 6.558 7.570 -2.056 1.00 0.00 C ATOM 255 C LYS A 134 7.801 8.321 -1.588 1.00 0.00 C ATOM 256 O LYS A 134 8.643 8.711 -2.397 1.00 0.00 O ATOM 257 CB LYS A 134 5.490 8.564 -2.517 1.00 0.00 C ATOM 258 CG LYS A 134 5.830 9.264 -3.822 1.00 0.00 C ATOM 259 CD LYS A 134 4.702 10.177 -4.277 1.00 0.00 C ATOM 260 CE LYS A 134 4.969 10.746 -5.661 1.00 0.00 C ATOM 261 NZ LYS A 134 5.055 9.677 -6.696 1.00 0.00 N ATOM 0 H LYS A 134 5.150 7.055 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 134 6.840 6.930 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.543 8.038 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 134 5.345 9.314 -1.740 1.00 0.00 H new ATOM 0 HG2 LYS A 134 6.742 9.847 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 134 6.031 8.520 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 134 3.764 9.622 -4.286 1.00 0.00 H new ATOM 0 HD3 LYS A 134 4.583 10.993 -3.564 1.00 0.00 H new ATOM 0 HE2 LYS A 134 4.175 11.444 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.900 11.313 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.949 10.099 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.979 9.204 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 4.298 8.981 -6.540 1.00 0.00 H new ATOM 275 N LEU A 135 7.909 8.521 -0.277 1.00 0.00 N ATOM 276 CA LEU A 135 9.048 9.228 0.297 1.00 0.00 C ATOM 277 C LEU A 135 10.313 8.378 0.211 1.00 0.00 C ATOM 278 O LEU A 135 11.330 8.819 -0.324 1.00 0.00 O ATOM 279 CB LEU A 135 8.757 9.604 1.754 1.00 0.00 C ATOM 280 CG LEU A 135 9.675 10.675 2.354 1.00 0.00 C ATOM 281 CD1 LEU A 135 9.007 11.333 3.551 1.00 0.00 C ATOM 282 CD2 LEU A 135 11.013 10.074 2.762 1.00 0.00 C ATOM 0 H LEU A 135 7.222 8.203 0.406 1.00 0.00 H new ATOM 0 HA LEU A 135 9.211 10.140 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.727 9.953 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.830 8.704 2.365 1.00 0.00 H new ATOM 0 HG LEU A 135 9.858 11.433 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 135 9.671 12.091 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 135 8.074 11.801 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.797 10.579 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 135 11.648 10.853 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 135 10.850 9.295 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 135 11.501 9.644 1.887 1.00 0.00 H new ATOM 294 N GLN A 136 10.243 7.159 0.739 1.00 0.00 N ATOM 295 CA GLN A 136 11.387 6.255 0.717 1.00 0.00 C ATOM 296 C GLN A 136 11.652 5.741 -0.694 1.00 0.00 C ATOM 297 O GLN A 136 12.801 5.538 -1.087 1.00 0.00 O ATOM 298 CB GLN A 136 11.151 5.078 1.667 1.00 0.00 C ATOM 299 CG GLN A 136 10.991 5.494 3.121 1.00 0.00 C ATOM 300 CD GLN A 136 10.827 4.309 4.052 1.00 0.00 C ATOM 301 OE1 GLN A 136 11.334 3.220 3.786 1.00 0.00 O ATOM 302 NE2 GLN A 136 10.116 4.519 5.154 1.00 0.00 N ATOM 0 H GLN A 136 9.409 6.776 1.185 1.00 0.00 H new ATOM 0 HA GLN A 136 12.263 6.812 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.257 4.540 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 136 11.987 4.383 1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 136 11.862 6.074 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 136 10.124 6.148 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 136 9.714 5.439 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 136 9.972 3.760 5.820 1.00 0.00 H new ATOM 311 N PHE A 137 10.580 5.537 -1.454 1.00 0.00 N ATOM 312 CA PHE A 137 10.696 5.048 -2.823 1.00 0.00 C ATOM 313 C PHE A 137 10.239 6.109 -3.820 1.00 0.00 C ATOM 314 O PHE A 137 9.042 6.284 -4.049 1.00 0.00 O ATOM 315 CB PHE A 137 9.869 3.774 -3.003 1.00 0.00 C ATOM 316 CG PHE A 137 10.290 2.653 -2.095 1.00 0.00 C ATOM 317 CD1 PHE A 137 9.760 2.539 -0.820 1.00 0.00 C ATOM 318 CD2 PHE A 137 11.216 1.713 -2.518 1.00 0.00 C ATOM 319 CE1 PHE A 137 10.145 1.510 0.017 1.00 0.00 C ATOM 320 CE2 PHE A 137 11.605 0.681 -1.686 1.00 0.00 C ATOM 321 CZ PHE A 137 11.069 0.579 -0.416 1.00 0.00 C ATOM 0 H PHE A 137 9.622 5.703 -1.145 1.00 0.00 H new ATOM 0 HA PHE A 137 11.745 4.823 -3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 137 8.819 4.003 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 137 9.948 3.442 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 137 9.037 3.264 -0.476 1.00 0.00 H new ATOM 0 HD2 PHE A 137 11.638 1.788 -3.509 1.00 0.00 H new ATOM 0 HE1 PHE A 137 9.724 1.433 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 137 12.327 -0.046 -2.028 1.00 0.00 H new ATOM 0 HZ PHE A 137 11.372 -0.227 0.236 1.00 0.00 H new ATOM 331 N GLY A 138 11.200 6.817 -4.408 1.00 0.00 N ATOM 332 CA GLY A 138 10.875 7.852 -5.372 1.00 0.00 C ATOM 333 C GLY A 138 11.673 7.724 -6.655 1.00 0.00 C ATOM 334 O GLY A 138 11.127 7.857 -7.750 1.00 0.00 O ATOM 0 H GLY A 138 12.197 6.692 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 138 9.811 7.806 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 138 11.063 8.829 -4.928 1.00 0.00 H new ATOM 338 N SER A 139 12.971 7.464 -6.520 1.00 0.00 N ATOM 339 CA SER A 139 13.846 7.317 -7.679 1.00 0.00 C ATOM 340 C SER A 139 13.475 6.078 -8.486 1.00 0.00 C ATOM 341 O SER A 139 13.855 5.946 -9.650 1.00 0.00 O ATOM 342 CB SER A 139 15.306 7.231 -7.233 1.00 0.00 C ATOM 343 OG SER A 139 15.514 6.114 -6.385 1.00 0.00 O ATOM 0 H SER A 139 13.439 7.351 -5.621 1.00 0.00 H new ATOM 0 HA SER A 139 13.718 8.194 -8.314 1.00 0.00 H new ATOM 0 HB2 SER A 139 15.953 7.154 -8.107 1.00 0.00 H new ATOM 0 HB3 SER A 139 15.585 8.146 -6.710 1.00 0.00 H new ATOM 0 HG SER A 139 16.455 6.079 -6.114 1.00 0.00 H new ATOM 349 N GLN A 140 12.730 5.172 -7.860 1.00 0.00 N ATOM 350 CA GLN A 140 12.305 3.941 -8.518 1.00 0.00 C ATOM 351 C GLN A 140 10.783 3.892 -8.649 1.00 0.00 C ATOM 352 O GLN A 140 10.090 3.473 -7.721 1.00 0.00 O ATOM 353 CB GLN A 140 12.800 2.725 -7.734 1.00 0.00 C ATOM 354 CG GLN A 140 14.307 2.704 -7.532 1.00 0.00 C ATOM 355 CD GLN A 140 15.072 2.623 -8.839 1.00 0.00 C ATOM 356 OE1 GLN A 140 15.421 3.645 -9.431 1.00 0.00 O ATOM 357 NE2 GLN A 140 15.335 1.405 -9.297 1.00 0.00 N ATOM 0 H GLN A 140 12.408 5.267 -6.897 1.00 0.00 H new ATOM 0 HA GLN A 140 12.739 3.922 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN A 140 12.311 2.707 -6.760 1.00 0.00 H new ATOM 0 HB3 GLN A 140 12.499 1.818 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 140 14.610 3.602 -6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 140 14.574 1.852 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 140 15.027 0.586 -8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 140 15.845 1.289 -10.172 1.00 0.00 H new ATOM 366 N PRO A 141 10.237 4.328 -9.802 1.00 0.00 N ATOM 367 CA PRO A 141 8.790 4.328 -10.038 1.00 0.00 C ATOM 368 C PRO A 141 8.232 2.922 -10.238 1.00 0.00 C ATOM 369 O PRO A 141 7.028 2.743 -10.417 1.00 0.00 O ATOM 370 CB PRO A 141 8.638 5.148 -11.319 1.00 0.00 C ATOM 371 CG PRO A 141 9.935 4.977 -12.032 1.00 0.00 C ATOM 372 CD PRO A 141 10.984 4.857 -10.962 1.00 0.00 C ATOM 0 HA PRO A 141 8.241 4.733 -9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 141 7.804 4.790 -11.922 1.00 0.00 H new ATOM 0 HB3 PRO A 141 8.443 6.197 -11.097 1.00 0.00 H new ATOM 0 HG2 PRO A 141 9.919 4.089 -12.664 1.00 0.00 H new ATOM 0 HG3 PRO A 141 10.137 5.827 -12.683 1.00 0.00 H new ATOM 0 HD2 PRO A 141 11.788 4.185 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 141 11.441 5.821 -10.739 1.00 0.00 H new ATOM 380 N GLN A 142 9.114 1.928 -10.207 1.00 0.00 N ATOM 381 CA GLN A 142 8.705 0.540 -10.386 1.00 0.00 C ATOM 382 C GLN A 142 8.051 -0.001 -9.118 1.00 0.00 C ATOM 383 O GLN A 142 7.060 -0.729 -9.182 1.00 0.00 O ATOM 384 CB GLN A 142 9.912 -0.324 -10.759 1.00 0.00 C ATOM 385 CG GLN A 142 10.605 0.115 -12.038 1.00 0.00 C ATOM 386 CD GLN A 142 9.691 0.064 -13.246 1.00 0.00 C ATOM 387 OE1 GLN A 142 9.595 -0.960 -13.923 1.00 0.00 O ATOM 388 NE2 GLN A 142 9.015 1.172 -13.524 1.00 0.00 N ATOM 0 H GLN A 142 10.115 2.058 -10.060 1.00 0.00 H new ATOM 0 HA GLN A 142 7.975 0.503 -11.195 1.00 0.00 H new ATOM 0 HB2 GLN A 142 10.631 -0.301 -9.940 1.00 0.00 H new ATOM 0 HB3 GLN A 142 9.587 -1.359 -10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 142 10.979 1.131 -11.913 1.00 0.00 H new ATOM 0 HG3 GLN A 142 11.470 -0.524 -12.215 1.00 0.00 H new ATOM 0 HE21 GLN A 142 9.125 1.998 -12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 142 8.385 1.198 -14.326 1.00 0.00 H new ATOM 397 N VAL A 143 8.612 0.363 -7.970 1.00 0.00 N ATOM 398 CA VAL A 143 8.086 -0.084 -6.686 1.00 0.00 C ATOM 399 C VAL A 143 6.747 0.579 -6.379 1.00 0.00 C ATOM 400 O VAL A 143 5.791 -0.087 -5.980 1.00 0.00 O ATOM 401 CB VAL A 143 9.070 0.224 -5.541 1.00 0.00 C ATOM 402 CG1 VAL A 143 8.542 -0.313 -4.220 1.00 0.00 C ATOM 403 CG2 VAL A 143 10.445 -0.352 -5.849 1.00 0.00 C ATOM 0 H VAL A 143 9.431 0.967 -7.903 1.00 0.00 H new ATOM 0 HA VAL A 143 7.947 -1.163 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 143 9.166 1.306 -5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.252 -0.085 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.583 0.153 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.412 -1.393 -4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 143 11.127 -0.125 -5.029 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.368 -1.433 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 143 10.826 0.088 -6.770 1.00 0.00 H new ATOM 413 N TYR A 144 6.687 1.892 -6.571 1.00 0.00 N ATOM 414 CA TYR A 144 5.469 2.651 -6.313 1.00 0.00 C ATOM 415 C TYR A 144 4.331 2.177 -7.214 1.00 0.00 C ATOM 416 O TYR A 144 3.226 1.910 -6.743 1.00 0.00 O ATOM 417 CB TYR A 144 5.724 4.145 -6.528 1.00 0.00 C ATOM 418 CG TYR A 144 4.587 5.032 -6.069 1.00 0.00 C ATOM 419 CD1 TYR A 144 4.285 5.163 -4.719 1.00 0.00 C ATOM 420 CD2 TYR A 144 3.818 5.738 -6.985 1.00 0.00 C ATOM 421 CE1 TYR A 144 3.249 5.973 -4.295 1.00 0.00 C ATOM 422 CE2 TYR A 144 2.780 6.550 -6.568 1.00 0.00 C ATOM 423 CZ TYR A 144 2.499 6.663 -5.224 1.00 0.00 C ATOM 424 OH TYR A 144 1.467 7.471 -4.805 1.00 0.00 O ATOM 0 H TYR A 144 7.470 2.454 -6.905 1.00 0.00 H new ATOM 0 HA TYR A 144 5.176 2.485 -5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 144 6.632 4.429 -5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 144 5.907 4.324 -7.588 1.00 0.00 H new ATOM 0 HD1 TYR A 144 4.870 4.623 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 144 4.034 5.651 -8.040 1.00 0.00 H new ATOM 0 HE1 TYR A 144 3.028 6.065 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 144 2.192 7.093 -7.293 1.00 0.00 H new ATOM 0 HH TYR A 144 1.040 7.886 -5.583 1.00 0.00 H new ATOM 434 N ASN A 145 4.613 2.071 -8.509 1.00 0.00 N ATOM 435 CA ASN A 145 3.616 1.629 -9.480 1.00 0.00 C ATOM 436 C ASN A 145 3.078 0.246 -9.121 1.00 0.00 C ATOM 437 O ASN A 145 1.868 0.012 -9.155 1.00 0.00 O ATOM 438 CB ASN A 145 4.220 1.606 -10.886 1.00 0.00 C ATOM 439 CG ASN A 145 3.222 1.172 -11.941 1.00 0.00 C ATOM 440 OD1 ASN A 145 2.534 1.999 -12.539 1.00 0.00 O ATOM 441 ND2 ASN A 145 3.137 -0.133 -12.173 1.00 0.00 N ATOM 0 H ASN A 145 5.525 2.285 -8.911 1.00 0.00 H new ATOM 0 HA ASN A 145 2.787 2.336 -9.459 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.595 2.599 -11.133 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.075 0.930 -10.899 1.00 0.00 H new ATOM 0 HD21 ASN A 145 2.482 -0.485 -12.871 1.00 0.00 H new ATOM 0 HD22 ASN A 145 3.727 -0.783 -11.653 1.00 0.00 H new ATOM 448 N ASP A 146 3.984 -0.666 -8.780 1.00 0.00 N ATOM 449 CA ASP A 146 3.602 -2.027 -8.413 1.00 0.00 C ATOM 450 C ASP A 146 2.631 -2.018 -7.235 1.00 0.00 C ATOM 451 O ASP A 146 1.593 -2.683 -7.267 1.00 0.00 O ATOM 452 CB ASP A 146 4.844 -2.848 -8.060 1.00 0.00 C ATOM 453 CG ASP A 146 4.511 -4.290 -7.731 1.00 0.00 C ATOM 454 OD1 ASP A 146 4.215 -4.576 -6.553 1.00 0.00 O ATOM 455 OD2 ASP A 146 4.548 -5.133 -8.652 1.00 0.00 O ATOM 0 H ASP A 146 4.988 -0.488 -8.750 1.00 0.00 H new ATOM 0 HA ASP A 146 3.104 -2.484 -9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 146 5.543 -2.821 -8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 146 5.348 -2.391 -7.208 1.00 0.00 H new ATOM 460 N PHE A 147 2.976 -1.260 -6.198 1.00 0.00 N ATOM 461 CA PHE A 147 2.135 -1.158 -5.012 1.00 0.00 C ATOM 462 C PHE A 147 0.737 -0.682 -5.389 1.00 0.00 C ATOM 463 O PHE A 147 -0.261 -1.190 -4.879 1.00 0.00 O ATOM 464 CB PHE A 147 2.757 -0.199 -3.994 1.00 0.00 C ATOM 465 CG PHE A 147 1.979 -0.100 -2.713 1.00 0.00 C ATOM 466 CD1 PHE A 147 2.147 -1.041 -1.712 1.00 0.00 C ATOM 467 CD2 PHE A 147 1.080 0.936 -2.512 1.00 0.00 C ATOM 468 CE1 PHE A 147 1.432 -0.955 -0.532 1.00 0.00 C ATOM 469 CE2 PHE A 147 0.362 1.029 -1.334 1.00 0.00 C ATOM 470 CZ PHE A 147 0.538 0.082 -0.343 1.00 0.00 C ATOM 0 H PHE A 147 3.833 -0.708 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 147 2.060 -2.147 -4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 147 3.772 -0.528 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 147 2.835 0.792 -4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 147 2.845 -1.852 -1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 147 0.939 1.678 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 147 1.572 -1.697 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -0.335 1.841 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 147 -0.022 0.152 0.578 1.00 0.00 H new ATOM 480 N LEU A 148 0.676 0.300 -6.284 1.00 0.00 N ATOM 481 CA LEU A 148 -0.599 0.842 -6.737 1.00 0.00 C ATOM 482 C LEU A 148 -1.457 -0.253 -7.358 1.00 0.00 C ATOM 483 O LEU A 148 -2.645 -0.372 -7.055 1.00 0.00 O ATOM 484 CB LEU A 148 -0.372 1.966 -7.750 1.00 0.00 C ATOM 485 CG LEU A 148 0.358 3.196 -7.207 1.00 0.00 C ATOM 486 CD1 LEU A 148 0.673 4.166 -8.334 1.00 0.00 C ATOM 487 CD2 LEU A 148 -0.471 3.880 -6.129 1.00 0.00 C ATOM 0 H LEU A 148 1.495 0.736 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 148 -1.123 1.248 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 148 0.197 1.567 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -1.339 2.281 -8.142 1.00 0.00 H new ATOM 0 HG LEU A 148 1.297 2.869 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 148 1.192 5.036 -7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 148 1.307 3.674 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -0.255 4.485 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 148 0.066 4.752 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -1.426 4.194 -6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -0.647 3.184 -5.309 1.00 0.00 H new ATOM 499 N ASP A 149 -0.849 -1.053 -8.232 1.00 0.00 N ATOM 500 CA ASP A 149 -1.556 -2.146 -8.892 1.00 0.00 C ATOM 501 C ASP A 149 -2.185 -3.076 -7.862 1.00 0.00 C ATOM 502 O ASP A 149 -3.374 -3.389 -7.938 1.00 0.00 O ATOM 503 CB ASP A 149 -0.598 -2.931 -9.792 1.00 0.00 C ATOM 504 CG ASP A 149 -1.267 -4.125 -10.445 1.00 0.00 C ATOM 505 OD1 ASP A 149 -1.925 -3.941 -11.489 1.00 0.00 O ATOM 506 OD2 ASP A 149 -1.127 -5.247 -9.912 1.00 0.00 O ATOM 0 H ASP A 149 0.131 -0.964 -8.499 1.00 0.00 H new ATOM 0 HA ASP A 149 -2.349 -1.720 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -0.206 -2.270 -10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 149 0.253 -3.272 -9.202 1.00 0.00 H new ATOM 511 N ILE A 150 -1.380 -3.515 -6.899 1.00 0.00 N ATOM 512 CA ILE A 150 -1.862 -4.402 -5.847 1.00 0.00 C ATOM 513 C ILE A 150 -3.037 -3.773 -5.105 1.00 0.00 C ATOM 514 O ILE A 150 -3.996 -4.456 -4.742 1.00 0.00 O ATOM 515 CB ILE A 150 -0.747 -4.735 -4.835 1.00 0.00 C ATOM 516 CG1 ILE A 150 0.468 -5.323 -5.558 1.00 0.00 C ATOM 517 CG2 ILE A 150 -1.263 -5.702 -3.777 1.00 0.00 C ATOM 518 CD1 ILE A 150 1.670 -5.531 -4.661 1.00 0.00 C ATOM 0 H ILE A 150 -0.392 -3.271 -6.826 1.00 0.00 H new ATOM 0 HA ILE A 150 -2.187 -5.324 -6.329 1.00 0.00 H new ATOM 0 HB ILE A 150 -0.440 -3.815 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 150 0.188 -6.278 -6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 150 0.748 -4.660 -6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -0.465 -5.928 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -2.100 -5.248 -3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -1.594 -6.623 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 150 2.491 -5.950 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 150 1.977 -4.575 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 150 1.409 -6.218 -3.856 1.00 0.00 H new ATOM 530 N MET A 151 -2.956 -2.463 -4.890 1.00 0.00 N ATOM 531 CA MET A 151 -4.009 -1.736 -4.192 1.00 0.00 C ATOM 532 C MET A 151 -5.306 -1.765 -4.994 1.00 0.00 C ATOM 533 O MET A 151 -6.396 -1.846 -4.427 1.00 0.00 O ATOM 534 CB MET A 151 -3.580 -0.288 -3.943 1.00 0.00 C ATOM 535 CG MET A 151 -4.255 0.350 -2.741 1.00 0.00 C ATOM 536 SD MET A 151 -3.177 0.428 -1.295 1.00 0.00 S ATOM 537 CE MET A 151 -2.818 -1.308 -1.034 1.00 0.00 C ATOM 0 H MET A 151 -2.171 -1.884 -5.190 1.00 0.00 H new ATOM 0 HA MET A 151 -4.183 -2.224 -3.233 1.00 0.00 H new ATOM 0 HB2 MET A 151 -2.500 -0.258 -3.801 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.801 0.305 -4.830 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.577 1.358 -3.003 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.152 -0.217 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 151 -2.091 -1.412 -0.228 1.00 0.00 H new ATOM 0 HE2 MET A 151 -3.735 -1.833 -0.766 1.00 0.00 H new ATOM 0 HE3 MET A 151 -2.409 -1.737 -1.949 1.00 0.00 H new ATOM 547 N LYS A 152 -5.180 -1.700 -6.317 1.00 0.00 N ATOM 548 CA LYS A 152 -6.343 -1.722 -7.198 1.00 0.00 C ATOM 549 C LYS A 152 -7.016 -3.090 -7.165 1.00 0.00 C ATOM 550 O LYS A 152 -8.243 -3.190 -7.171 1.00 0.00 O ATOM 551 CB LYS A 152 -5.935 -1.378 -8.632 1.00 0.00 C ATOM 552 CG LYS A 152 -5.358 0.020 -8.789 1.00 0.00 C ATOM 553 CD LYS A 152 -5.042 0.327 -10.245 1.00 0.00 C ATOM 554 CE LYS A 152 -4.440 1.714 -10.407 1.00 0.00 C ATOM 555 NZ LYS A 152 -3.141 1.843 -9.693 1.00 0.00 N ATOM 0 H LYS A 152 -4.285 -1.632 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 152 -7.052 -0.974 -6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -5.199 -2.105 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -6.805 -1.476 -9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -6.067 0.754 -8.406 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -4.451 0.111 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -4.348 -0.419 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -5.953 0.254 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -4.294 1.925 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -5.139 2.459 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -2.644 2.694 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -3.313 1.921 -8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -2.556 1.004 -9.882 1.00 0.00 H new ATOM 569 N GLU A 153 -6.201 -4.141 -7.131 1.00 0.00 N ATOM 570 CA GLU A 153 -6.713 -5.506 -7.096 1.00 0.00 C ATOM 571 C GLU A 153 -7.505 -5.760 -5.817 1.00 0.00 C ATOM 572 O GLU A 153 -8.588 -6.342 -5.854 1.00 0.00 O ATOM 573 CB GLU A 153 -5.563 -6.509 -7.200 1.00 0.00 C ATOM 574 CG GLU A 153 -4.745 -6.368 -8.472 1.00 0.00 C ATOM 575 CD GLU A 153 -3.598 -7.357 -8.540 1.00 0.00 C ATOM 576 OE1 GLU A 153 -2.505 -7.032 -8.029 1.00 0.00 O ATOM 577 OE2 GLU A 153 -3.792 -8.454 -9.102 1.00 0.00 O ATOM 0 H GLU A 153 -5.183 -4.072 -7.127 1.00 0.00 H new ATOM 0 HA GLU A 153 -7.380 -5.636 -7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -4.905 -6.385 -6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -5.968 -7.520 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -5.395 -6.511 -9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -4.350 -5.354 -8.535 1.00 0.00 H new ATOM 584 N PHE A 154 -6.956 -5.321 -4.688 1.00 0.00 N ATOM 585 CA PHE A 154 -7.614 -5.502 -3.399 1.00 0.00 C ATOM 586 C PHE A 154 -8.801 -4.555 -3.253 1.00 0.00 C ATOM 587 O PHE A 154 -9.747 -4.840 -2.519 1.00 0.00 O ATOM 588 CB PHE A 154 -6.618 -5.283 -2.257 1.00 0.00 C ATOM 589 CG PHE A 154 -7.221 -5.436 -0.888 1.00 0.00 C ATOM 590 CD1 PHE A 154 -7.659 -6.673 -0.441 1.00 0.00 C ATOM 591 CD2 PHE A 154 -7.349 -4.342 -0.048 1.00 0.00 C ATOM 592 CE1 PHE A 154 -8.213 -6.815 0.817 1.00 0.00 C ATOM 593 CE2 PHE A 154 -7.901 -4.478 1.211 1.00 0.00 C ATOM 594 CZ PHE A 154 -8.335 -5.716 1.644 1.00 0.00 C ATOM 0 H PHE A 154 -6.059 -4.838 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 154 -7.987 -6.525 -3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 154 -5.796 -5.991 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 154 -6.191 -4.284 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -7.566 -7.536 -1.084 1.00 0.00 H new ATOM 0 HD2 PHE A 154 -7.013 -3.371 -0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -8.550 -7.784 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -7.993 -3.617 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 154 -8.769 -5.824 2.627 1.00 0.00 H new ATOM 604 N LYS A 155 -8.748 -3.427 -3.956 1.00 0.00 N ATOM 605 CA LYS A 155 -9.825 -2.444 -3.901 1.00 0.00 C ATOM 606 C LYS A 155 -11.057 -2.949 -4.645 1.00 0.00 C ATOM 607 O LYS A 155 -12.190 -2.685 -4.240 1.00 0.00 O ATOM 608 CB LYS A 155 -9.364 -1.110 -4.495 1.00 0.00 C ATOM 609 CG LYS A 155 -10.414 -0.011 -4.416 1.00 0.00 C ATOM 610 CD LYS A 155 -10.723 0.372 -2.975 1.00 0.00 C ATOM 611 CE LYS A 155 -9.558 1.103 -2.325 1.00 0.00 C ATOM 612 NZ LYS A 155 -9.297 2.416 -2.974 1.00 0.00 N ATOM 0 H LYS A 155 -7.973 -3.172 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 155 -10.090 -2.291 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -8.466 -0.781 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -9.088 -1.263 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -10.063 0.867 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -11.328 -0.345 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -11.610 1.005 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -10.955 -0.526 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -9.770 1.257 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -8.663 0.484 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -8.710 3.002 -2.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -8.799 2.265 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -10.200 2.900 -3.155 1.00 0.00 H new ATOM 626 N SER A 156 -10.830 -3.677 -5.734 1.00 0.00 N ATOM 627 CA SER A 156 -11.923 -4.222 -6.533 1.00 0.00 C ATOM 628 C SER A 156 -12.392 -5.558 -5.968 1.00 0.00 C ATOM 629 O SER A 156 -13.185 -6.264 -6.593 1.00 0.00 O ATOM 630 CB SER A 156 -11.483 -4.395 -7.988 1.00 0.00 C ATOM 631 OG SER A 156 -10.369 -5.267 -8.084 1.00 0.00 O ATOM 0 H SER A 156 -9.899 -3.903 -6.084 1.00 0.00 H new ATOM 0 HA SER A 156 -12.755 -3.519 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 156 -12.310 -4.791 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 156 -11.226 -3.424 -8.411 1.00 0.00 H new ATOM 0 HG SER A 156 -9.552 -4.782 -7.843 1.00 0.00 H new ATOM 637 N GLN A 157 -11.896 -5.895 -4.780 1.00 0.00 N ATOM 638 CA GLN A 157 -12.256 -7.144 -4.117 1.00 0.00 C ATOM 639 C GLN A 157 -11.894 -8.347 -4.985 1.00 0.00 C ATOM 640 O GLN A 157 -12.675 -8.768 -5.840 1.00 0.00 O ATOM 641 CB GLN A 157 -13.749 -7.164 -3.782 1.00 0.00 C ATOM 642 CG GLN A 157 -14.196 -8.430 -3.068 1.00 0.00 C ATOM 643 CD GLN A 157 -15.665 -8.405 -2.701 1.00 0.00 C ATOM 644 OE1 GLN A 157 -16.038 -7.959 -1.616 1.00 0.00 O ATOM 645 NE2 GLN A 157 -16.511 -8.883 -3.607 1.00 0.00 N ATOM 0 H GLN A 157 -11.240 -5.316 -4.255 1.00 0.00 H new ATOM 0 HA GLN A 157 -11.688 -7.208 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.984 -6.302 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.321 -7.055 -4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.000 -9.291 -3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.602 -8.562 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.159 -9.243 -4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.513 -8.890 -3.416 1.00 0.00 H new ATOM 654 N SER A 158 -10.703 -8.891 -4.760 1.00 0.00 N ATOM 655 CA SER A 158 -10.231 -10.047 -5.513 1.00 0.00 C ATOM 656 C SER A 158 -9.371 -10.946 -4.630 1.00 0.00 C ATOM 657 O SER A 158 -9.502 -12.170 -4.658 1.00 0.00 O ATOM 658 CB SER A 158 -9.433 -9.596 -6.738 1.00 0.00 C ATOM 659 OG SER A 158 -8.972 -10.709 -7.485 1.00 0.00 O ATOM 0 H SER A 158 -10.045 -8.549 -4.060 1.00 0.00 H new ATOM 0 HA SER A 158 -11.099 -10.615 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 158 -10.057 -8.964 -7.370 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.584 -8.991 -6.420 1.00 0.00 H new ATOM 0 HG SER A 158 -8.466 -10.394 -8.263 1.00 0.00 H new ATOM 665 N ILE A 159 -8.494 -10.327 -3.846 1.00 0.00 N ATOM 666 CA ILE A 159 -7.615 -11.065 -2.948 1.00 0.00 C ATOM 667 C ILE A 159 -8.037 -10.876 -1.494 1.00 0.00 C ATOM 668 O ILE A 159 -8.607 -9.846 -1.132 1.00 0.00 O ATOM 669 CB ILE A 159 -6.147 -10.627 -3.115 1.00 0.00 C ATOM 670 CG1 ILE A 159 -6.011 -9.119 -2.880 1.00 0.00 C ATOM 671 CG2 ILE A 159 -5.639 -11.002 -4.500 1.00 0.00 C ATOM 672 CD1 ILE A 159 -4.582 -8.619 -2.935 1.00 0.00 C ATOM 0 H ILE A 159 -8.374 -9.315 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 159 -7.699 -12.119 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 159 -5.540 -11.146 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -6.601 -8.589 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -6.435 -8.872 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -4.601 -10.687 -4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -5.705 -12.082 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -6.247 -10.506 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -4.566 -7.543 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -3.991 -9.121 -2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -4.159 -8.833 -3.917 1.00 0.00 H new ATOM 684 N ASP A 160 -7.757 -11.877 -0.664 1.00 0.00 N ATOM 685 CA ASP A 160 -8.117 -11.825 0.750 1.00 0.00 C ATOM 686 C ASP A 160 -7.191 -10.890 1.522 1.00 0.00 C ATOM 687 O ASP A 160 -6.226 -10.359 0.973 1.00 0.00 O ATOM 688 CB ASP A 160 -8.063 -13.226 1.361 1.00 0.00 C ATOM 689 CG ASP A 160 -9.046 -14.179 0.714 1.00 0.00 C ATOM 690 OD1 ASP A 160 -10.202 -14.249 1.182 1.00 0.00 O ATOM 691 OD2 ASP A 160 -8.660 -14.859 -0.261 1.00 0.00 O ATOM 0 H ASP A 160 -7.282 -12.734 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 160 -9.133 -11.438 0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 160 -7.054 -13.625 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 160 -8.273 -13.162 2.429 1.00 0.00 H new ATOM 696 N THR A 161 -7.499 -10.694 2.803 1.00 0.00 N ATOM 697 CA THR A 161 -6.697 -9.828 3.661 1.00 0.00 C ATOM 698 C THR A 161 -5.251 -10.323 3.762 1.00 0.00 C ATOM 699 O THR A 161 -4.318 -9.553 3.531 1.00 0.00 O ATOM 700 CB THR A 161 -7.302 -9.718 5.078 1.00 0.00 C ATOM 701 OG1 THR A 161 -8.659 -9.264 4.998 1.00 0.00 O ATOM 702 CG2 THR A 161 -6.495 -8.759 5.941 1.00 0.00 C ATOM 0 H THR A 161 -8.298 -11.124 3.268 1.00 0.00 H new ATOM 0 HA THR A 161 -6.700 -8.841 3.199 1.00 0.00 H new ATOM 0 HB THR A 161 -7.274 -10.707 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 161 -9.036 -9.199 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 161 -6.941 -8.699 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 161 -5.470 -9.120 6.025 1.00 0.00 H new ATOM 0 HG23 THR A 161 -6.495 -7.770 5.483 1.00 0.00 H new ATOM 710 N PRO A 162 -5.032 -11.613 4.104 1.00 0.00 N ATOM 711 CA PRO A 162 -3.678 -12.166 4.218 1.00 0.00 C ATOM 712 C PRO A 162 -2.924 -12.089 2.897 1.00 0.00 C ATOM 713 O PRO A 162 -1.695 -12.006 2.872 1.00 0.00 O ATOM 714 CB PRO A 162 -3.907 -13.628 4.621 1.00 0.00 C ATOM 715 CG PRO A 162 -5.316 -13.921 4.238 1.00 0.00 C ATOM 716 CD PRO A 162 -6.061 -12.629 4.397 1.00 0.00 C ATOM 0 HA PRO A 162 -3.071 -11.613 4.935 1.00 0.00 H new ATOM 0 HB2 PRO A 162 -3.213 -14.292 4.106 1.00 0.00 H new ATOM 0 HB3 PRO A 162 -3.751 -13.771 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 162 -5.375 -14.282 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 162 -5.740 -14.698 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 162 -6.903 -12.561 3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 162 -6.464 -12.517 5.404 1.00 0.00 H new ATOM 724 N GLY A 163 -3.672 -12.113 1.799 1.00 0.00 N ATOM 725 CA GLY A 163 -3.066 -12.039 0.484 1.00 0.00 C ATOM 726 C GLY A 163 -2.400 -10.702 0.231 1.00 0.00 C ATOM 727 O GLY A 163 -1.203 -10.641 -0.050 1.00 0.00 O ATOM 0 H GLY A 163 -4.690 -12.183 1.797 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -2.328 -12.835 0.381 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -3.829 -12.212 -0.275 1.00 0.00 H new ATOM 731 N VAL A 164 -3.177 -9.626 0.334 1.00 0.00 N ATOM 732 CA VAL A 164 -2.653 -8.284 0.113 1.00 0.00 C ATOM 733 C VAL A 164 -1.541 -7.957 1.107 1.00 0.00 C ATOM 734 O VAL A 164 -0.539 -7.340 0.744 1.00 0.00 O ATOM 735 CB VAL A 164 -3.764 -7.217 0.214 1.00 0.00 C ATOM 736 CG1 VAL A 164 -4.387 -7.212 1.602 1.00 0.00 C ATOM 737 CG2 VAL A 164 -3.218 -5.841 -0.139 1.00 0.00 C ATOM 0 H VAL A 164 -4.169 -9.659 0.569 1.00 0.00 H new ATOM 0 HA VAL A 164 -2.244 -8.266 -0.897 1.00 0.00 H new ATOM 0 HB VAL A 164 -4.545 -7.469 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 164 -5.167 -6.452 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 164 -4.821 -8.190 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 164 -3.620 -6.990 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 164 -4.016 -5.102 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 164 -2.415 -5.581 0.550 1.00 0.00 H new ATOM 0 HG23 VAL A 164 -2.832 -5.853 -1.158 1.00 0.00 H new ATOM 747 N ILE A 165 -1.720 -8.372 2.360 1.00 0.00 N ATOM 748 CA ILE A 165 -0.719 -8.121 3.390 1.00 0.00 C ATOM 749 C ILE A 165 0.598 -8.800 3.030 1.00 0.00 C ATOM 750 O ILE A 165 1.673 -8.233 3.223 1.00 0.00 O ATOM 751 CB ILE A 165 -1.190 -8.608 4.776 1.00 0.00 C ATOM 752 CG1 ILE A 165 -2.422 -7.817 5.223 1.00 0.00 C ATOM 753 CG2 ILE A 165 -0.068 -8.473 5.798 1.00 0.00 C ATOM 754 CD1 ILE A 165 -3.033 -8.316 6.516 1.00 0.00 C ATOM 0 H ILE A 165 -2.544 -8.880 2.683 1.00 0.00 H new ATOM 0 HA ILE A 165 -0.571 -7.042 3.441 1.00 0.00 H new ATOM 0 HB ILE A 165 -1.461 -9.661 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 165 -2.146 -6.769 5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 165 -3.175 -7.860 4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 165 -0.417 -8.821 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A 165 0.785 -9.074 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 165 0.232 -7.428 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 165 -3.901 -7.706 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 165 -3.342 -9.354 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 165 -2.297 -8.247 7.317 1.00 0.00 H new ATOM 766 N SER A 166 0.505 -10.018 2.504 1.00 0.00 N ATOM 767 CA SER A 166 1.689 -10.770 2.107 1.00 0.00 C ATOM 768 C SER A 166 2.364 -10.104 0.912 1.00 0.00 C ATOM 769 O SER A 166 3.589 -10.118 0.789 1.00 0.00 O ATOM 770 CB SER A 166 1.312 -12.212 1.757 1.00 0.00 C ATOM 771 OG SER A 166 2.451 -12.959 1.366 1.00 0.00 O ATOM 0 H SER A 166 -0.377 -10.504 2.343 1.00 0.00 H new ATOM 0 HA SER A 166 2.387 -10.782 2.945 1.00 0.00 H new ATOM 0 HB2 SER A 166 0.841 -12.687 2.618 1.00 0.00 H new ATOM 0 HB3 SER A 166 0.579 -12.213 0.951 1.00 0.00 H new ATOM 0 HG SER A 166 2.182 -13.876 1.150 1.00 0.00 H new ATOM 777 N ARG A 167 1.552 -9.519 0.035 1.00 0.00 N ATOM 778 CA ARG A 167 2.065 -8.840 -1.150 1.00 0.00 C ATOM 779 C ARG A 167 2.906 -7.629 -0.761 1.00 0.00 C ATOM 780 O ARG A 167 3.984 -7.407 -1.310 1.00 0.00 O ATOM 781 CB ARG A 167 0.909 -8.400 -2.053 1.00 0.00 C ATOM 782 CG ARG A 167 0.155 -9.558 -2.688 1.00 0.00 C ATOM 783 CD ARG A 167 1.007 -10.282 -3.716 1.00 0.00 C ATOM 784 NE ARG A 167 1.473 -9.384 -4.770 1.00 0.00 N ATOM 785 CZ ARG A 167 2.431 -9.696 -5.637 1.00 0.00 C ATOM 786 NH1 ARG A 167 3.023 -10.882 -5.580 1.00 0.00 N ATOM 787 NH2 ARG A 167 2.798 -8.823 -6.566 1.00 0.00 N ATOM 0 H ARG A 167 0.536 -9.502 0.123 1.00 0.00 H new ATOM 0 HA ARG A 167 2.697 -9.542 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 167 0.211 -7.800 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 167 1.300 -7.757 -2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 167 -0.156 -10.259 -1.913 1.00 0.00 H new ATOM 0 HG3 ARG A 167 -0.752 -9.185 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 167 1.865 -10.736 -3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 167 0.429 -11.093 -4.160 1.00 0.00 H new ATOM 0 HE ARG A 167 1.038 -8.464 -4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 167 2.743 -11.558 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 167 3.758 -11.118 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 167 2.345 -7.911 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 167 3.533 -9.064 -7.230 1.00 0.00 H new ATOM 801 N VAL A 168 2.405 -6.848 0.193 1.00 0.00 N ATOM 802 CA VAL A 168 3.108 -5.658 0.657 1.00 0.00 C ATOM 803 C VAL A 168 4.329 -6.034 1.492 1.00 0.00 C ATOM 804 O VAL A 168 5.363 -5.368 1.431 1.00 0.00 O ATOM 805 CB VAL A 168 2.186 -4.748 1.493 1.00 0.00 C ATOM 806 CG1 VAL A 168 2.917 -3.483 1.914 1.00 0.00 C ATOM 807 CG2 VAL A 168 0.924 -4.407 0.712 1.00 0.00 C ATOM 0 H VAL A 168 1.514 -7.019 0.659 1.00 0.00 H new ATOM 0 HA VAL A 168 3.431 -5.114 -0.231 1.00 0.00 H new ATOM 0 HB VAL A 168 1.896 -5.288 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 168 2.248 -2.855 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 168 3.787 -3.748 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 168 3.240 -2.937 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 168 0.284 -3.764 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 168 1.194 -3.888 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 168 0.389 -5.324 0.467 1.00 0.00 H new ATOM 817 N SER A 169 4.201 -7.106 2.268 1.00 0.00 N ATOM 818 CA SER A 169 5.295 -7.571 3.115 1.00 0.00 C ATOM 819 C SER A 169 6.491 -8.000 2.272 1.00 0.00 C ATOM 820 O SER A 169 7.636 -7.685 2.598 1.00 0.00 O ATOM 821 CB SER A 169 4.829 -8.735 3.993 1.00 0.00 C ATOM 822 OG SER A 169 3.796 -8.329 4.873 1.00 0.00 O ATOM 0 H SER A 169 3.352 -7.668 2.328 1.00 0.00 H new ATOM 0 HA SER A 169 5.603 -6.744 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 169 4.474 -9.550 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 169 5.671 -9.120 4.569 1.00 0.00 H new ATOM 0 HG SER A 169 2.991 -8.117 4.356 1.00 0.00 H new ATOM 828 N GLN A 170 6.217 -8.718 1.187 1.00 0.00 N ATOM 829 CA GLN A 170 7.269 -9.187 0.293 1.00 0.00 C ATOM 830 C GLN A 170 7.830 -8.026 -0.523 1.00 0.00 C ATOM 831 O GLN A 170 9.040 -7.916 -0.718 1.00 0.00 O ATOM 832 CB GLN A 170 6.726 -10.271 -0.643 1.00 0.00 C ATOM 833 CG GLN A 170 7.764 -11.303 -1.061 1.00 0.00 C ATOM 834 CD GLN A 170 8.943 -10.692 -1.792 1.00 0.00 C ATOM 835 OE1 GLN A 170 8.918 -10.533 -3.012 1.00 0.00 O ATOM 836 NE2 GLN A 170 9.990 -10.355 -1.047 1.00 0.00 N ATOM 0 H GLN A 170 5.274 -8.988 0.906 1.00 0.00 H new ATOM 0 HA GLN A 170 8.071 -9.612 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 170 5.899 -10.782 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 170 6.320 -9.796 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 170 8.124 -11.828 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 170 7.291 -12.047 -1.702 1.00 0.00 H new ATOM 0 HE21 GLN A 170 9.967 -10.505 -0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 170 10.816 -9.947 -1.484 1.00 0.00 H new ATOM 845 N LEU A 171 6.938 -7.157 -0.992 1.00 0.00 N ATOM 846 CA LEU A 171 7.339 -6.000 -1.785 1.00 0.00 C ATOM 847 C LEU A 171 8.326 -5.132 -1.013 1.00 0.00 C ATOM 848 O LEU A 171 9.185 -4.475 -1.602 1.00 0.00 O ATOM 849 CB LEU A 171 6.110 -5.176 -2.177 1.00 0.00 C ATOM 850 CG LEU A 171 6.387 -3.990 -3.105 1.00 0.00 C ATOM 851 CD1 LEU A 171 6.885 -4.474 -4.459 1.00 0.00 C ATOM 852 CD2 LEU A 171 5.136 -3.140 -3.268 1.00 0.00 C ATOM 0 H LEU A 171 5.933 -7.233 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 171 7.829 -6.359 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 171 5.390 -5.835 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 171 5.638 -4.803 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 171 7.166 -3.375 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 171 7.076 -3.616 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 171 7.807 -5.041 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 171 6.130 -5.112 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 171 5.350 -2.301 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 171 4.338 -3.746 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 171 4.823 -2.763 -2.294 1.00 0.00 H new ATOM 864 N PHE A 172 8.195 -5.135 0.311 1.00 0.00 N ATOM 865 CA PHE A 172 9.077 -4.355 1.171 1.00 0.00 C ATOM 866 C PHE A 172 9.757 -5.257 2.198 1.00 0.00 C ATOM 867 O PHE A 172 9.312 -5.359 3.341 1.00 0.00 O ATOM 868 CB PHE A 172 8.295 -3.247 1.882 1.00 0.00 C ATOM 869 CG PHE A 172 7.523 -2.358 0.949 1.00 0.00 C ATOM 870 CD1 PHE A 172 8.182 -1.514 0.069 1.00 0.00 C ATOM 871 CD2 PHE A 172 6.138 -2.365 0.953 1.00 0.00 C ATOM 872 CE1 PHE A 172 7.474 -0.694 -0.789 1.00 0.00 C ATOM 873 CE2 PHE A 172 5.424 -1.549 0.096 1.00 0.00 C ATOM 874 CZ PHE A 172 6.092 -0.713 -0.776 1.00 0.00 C ATOM 0 H PHE A 172 7.485 -5.670 0.811 1.00 0.00 H new ATOM 0 HA PHE A 172 9.843 -3.896 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 172 7.604 -3.701 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 172 8.990 -2.637 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 172 9.262 -1.497 0.054 1.00 0.00 H new ATOM 0 HD2 PHE A 172 5.610 -3.016 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 172 8.000 -0.039 -1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 172 4.344 -1.565 0.109 1.00 0.00 H new ATOM 0 HZ PHE A 172 5.536 -0.075 -1.447 1.00 0.00 H new ATOM 884 N LYS A 173 10.831 -5.916 1.776 1.00 0.00 N ATOM 885 CA LYS A 173 11.573 -6.818 2.650 1.00 0.00 C ATOM 886 C LYS A 173 12.793 -6.122 3.244 1.00 0.00 C ATOM 887 O LYS A 173 13.308 -6.530 4.286 1.00 0.00 O ATOM 888 CB LYS A 173 12.007 -8.066 1.876 1.00 0.00 C ATOM 889 CG LYS A 173 12.762 -9.083 2.718 1.00 0.00 C ATOM 890 CD LYS A 173 11.886 -9.661 3.818 1.00 0.00 C ATOM 891 CE LYS A 173 12.624 -10.721 4.619 1.00 0.00 C ATOM 892 NZ LYS A 173 13.850 -10.175 5.265 1.00 0.00 N ATOM 0 H LYS A 173 11.208 -5.842 0.831 1.00 0.00 H new ATOM 0 HA LYS A 173 10.916 -7.115 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 173 11.124 -8.544 1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 173 12.637 -7.762 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 173 13.123 -9.889 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 173 13.639 -8.610 3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 173 11.561 -8.861 4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 173 10.988 -10.095 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 173 11.961 -11.126 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 173 12.897 -11.548 3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 173 14.212 -10.861 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 173 14.575 -10.000 4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 173 13.620 -9.283 5.748 1.00 0.00 H new ATOM 906 N GLY A 174 13.246 -5.069 2.576 1.00 0.00 N ATOM 907 CA GLY A 174 14.402 -4.331 3.049 1.00 0.00 C ATOM 908 C GLY A 174 14.027 -3.225 4.015 1.00 0.00 C ATOM 909 O GLY A 174 14.893 -2.630 4.655 1.00 0.00 O ATOM 0 H GLY A 174 12.833 -4.712 1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 174 15.093 -5.018 3.538 1.00 0.00 H new ATOM 0 HA3 GLY A 174 14.929 -3.902 2.197 1.00 0.00 H new ATOM 913 N HIS A 175 12.729 -2.951 4.120 1.00 0.00 N ATOM 914 CA HIS A 175 12.237 -1.908 5.014 1.00 0.00 C ATOM 915 C HIS A 175 11.056 -2.413 5.845 1.00 0.00 C ATOM 916 O HIS A 175 9.936 -2.509 5.343 1.00 0.00 O ATOM 917 CB HIS A 175 11.817 -0.676 4.210 1.00 0.00 C ATOM 918 CG HIS A 175 12.947 -0.033 3.468 1.00 0.00 C ATOM 919 ND1 HIS A 175 13.586 1.106 3.910 1.00 0.00 N ATOM 920 CD2 HIS A 175 13.554 -0.375 2.307 1.00 0.00 C ATOM 921 CE1 HIS A 175 14.537 1.436 3.054 1.00 0.00 C ATOM 922 NE2 HIS A 175 14.538 0.554 2.073 1.00 0.00 N ATOM 0 H HIS A 175 12.000 -3.437 3.597 1.00 0.00 H new ATOM 0 HA HIS A 175 13.045 -1.635 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 175 11.042 -0.963 3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 175 11.374 0.055 4.886 1.00 0.00 H new ATOM 0 HD2 HIS A 175 13.310 -1.221 1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 175 15.201 2.284 3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 175 15.168 0.561 1.271 1.00 0.00 H new ATOM 931 N PRO A 176 11.291 -2.753 7.129 1.00 0.00 N ATOM 932 CA PRO A 176 10.235 -3.248 8.020 1.00 0.00 C ATOM 933 C PRO A 176 9.299 -2.138 8.486 1.00 0.00 C ATOM 934 O PRO A 176 8.268 -2.401 9.105 1.00 0.00 O ATOM 935 CB PRO A 176 11.019 -3.814 9.204 1.00 0.00 C ATOM 936 CG PRO A 176 12.262 -2.998 9.247 1.00 0.00 C ATOM 937 CD PRO A 176 12.600 -2.690 7.813 1.00 0.00 C ATOM 0 HA PRO A 176 9.589 -3.974 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 176 10.454 -3.728 10.132 1.00 0.00 H new ATOM 0 HB3 PRO A 176 11.242 -4.872 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 176 12.109 -2.082 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 176 13.072 -3.544 9.731 1.00 0.00 H new ATOM 0 HD2 PRO A 176 13.059 -1.707 7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 176 13.303 -3.414 7.402 1.00 0.00 H new ATOM 945 N ASP A 177 9.666 -0.896 8.183 1.00 0.00 N ATOM 946 CA ASP A 177 8.862 0.258 8.573 1.00 0.00 C ATOM 947 C ASP A 177 7.526 0.271 7.840 1.00 0.00 C ATOM 948 O ASP A 177 6.468 0.391 8.459 1.00 0.00 O ATOM 949 CB ASP A 177 9.624 1.554 8.285 1.00 0.00 C ATOM 950 CG ASP A 177 8.851 2.787 8.711 1.00 0.00 C ATOM 951 OD1 ASP A 177 8.040 3.288 7.904 1.00 0.00 O ATOM 952 OD2 ASP A 177 9.057 3.251 9.852 1.00 0.00 O ATOM 0 H ASP A 177 10.515 -0.663 7.668 1.00 0.00 H new ATOM 0 HA ASP A 177 8.666 0.184 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 177 10.582 1.532 8.804 1.00 0.00 H new ATOM 0 HB3 ASP A 177 9.841 1.615 7.219 1.00 0.00 H new ATOM 957 N LEU A 178 7.581 0.149 6.517 1.00 0.00 N ATOM 958 CA LEU A 178 6.378 0.149 5.694 1.00 0.00 C ATOM 959 C LEU A 178 5.450 -0.998 6.076 1.00 0.00 C ATOM 960 O LEU A 178 4.229 -0.841 6.084 1.00 0.00 O ATOM 961 CB LEU A 178 6.751 0.055 4.212 1.00 0.00 C ATOM 962 CG LEU A 178 7.236 1.360 3.571 1.00 0.00 C ATOM 963 CD1 LEU A 178 6.146 2.418 3.624 1.00 0.00 C ATOM 964 CD2 LEU A 178 8.501 1.864 4.250 1.00 0.00 C ATOM 0 H LEU A 178 8.449 0.049 5.991 1.00 0.00 H new ATOM 0 HA LEU A 178 5.849 1.086 5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 178 7.531 -0.697 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 178 5.882 -0.301 3.658 1.00 0.00 H new ATOM 0 HG LEU A 178 7.471 1.156 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 178 6.509 3.337 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 178 5.268 2.064 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 178 5.878 2.613 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 178 8.824 2.791 3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 178 8.299 2.047 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 178 9.288 1.115 4.156 1.00 0.00 H new ATOM 976 N ILE A 179 6.033 -2.150 6.389 1.00 0.00 N ATOM 977 CA ILE A 179 5.253 -3.321 6.772 1.00 0.00 C ATOM 978 C ILE A 179 4.343 -3.001 7.954 1.00 0.00 C ATOM 979 O ILE A 179 3.143 -3.272 7.919 1.00 0.00 O ATOM 980 CB ILE A 179 6.162 -4.511 7.139 1.00 0.00 C ATOM 981 CG1 ILE A 179 7.057 -4.879 5.951 1.00 0.00 C ATOM 982 CG2 ILE A 179 5.324 -5.707 7.573 1.00 0.00 C ATOM 983 CD1 ILE A 179 8.059 -5.973 6.256 1.00 0.00 C ATOM 0 H ILE A 179 7.042 -2.298 6.385 1.00 0.00 H new ATOM 0 HA ILE A 179 4.646 -3.598 5.910 1.00 0.00 H new ATOM 0 HB ILE A 179 6.799 -4.220 7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 179 6.428 -5.197 5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 179 7.594 -3.989 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 179 5.981 -6.538 7.828 1.00 0.00 H new ATOM 0 HG22 ILE A 179 4.727 -5.436 8.443 1.00 0.00 H new ATOM 0 HG23 ILE A 179 4.664 -6.004 6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 179 8.656 -6.178 5.367 1.00 0.00 H new ATOM 0 HD12 ILE A 179 8.713 -5.651 7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 179 7.530 -6.878 6.554 1.00 0.00 H new ATOM 995 N MET A 180 4.926 -2.422 8.998 1.00 0.00 N ATOM 996 CA MET A 180 4.171 -2.060 10.191 1.00 0.00 C ATOM 997 C MET A 180 3.156 -0.966 9.877 1.00 0.00 C ATOM 998 O MET A 180 2.038 -0.975 10.393 1.00 0.00 O ATOM 999 CB MET A 180 5.119 -1.592 11.297 1.00 0.00 C ATOM 1000 CG MET A 180 6.070 -2.674 11.784 1.00 0.00 C ATOM 1001 SD MET A 180 5.207 -4.083 12.506 1.00 0.00 S ATOM 1002 CE MET A 180 6.588 -5.120 12.981 1.00 0.00 C ATOM 0 H MET A 180 5.919 -2.193 9.042 1.00 0.00 H new ATOM 0 HA MET A 180 3.633 -2.943 10.535 1.00 0.00 H new ATOM 0 HB2 MET A 180 5.701 -0.747 10.931 1.00 0.00 H new ATOM 0 HB3 MET A 180 4.530 -1.232 12.140 1.00 0.00 H new ATOM 0 HG2 MET A 180 6.682 -3.016 10.950 1.00 0.00 H new ATOM 0 HG3 MET A 180 6.748 -2.250 12.524 1.00 0.00 H new ATOM 0 HE1 MET A 180 6.215 -6.034 13.444 1.00 0.00 H new ATOM 0 HE2 MET A 180 7.173 -5.374 12.097 1.00 0.00 H new ATOM 0 HE3 MET A 180 7.218 -4.584 13.691 1.00 0.00 H new ATOM 1012 N GLY A 181 3.555 -0.026 9.028 1.00 0.00 N ATOM 1013 CA GLY A 181 2.673 1.064 8.656 1.00 0.00 C ATOM 1014 C GLY A 181 1.441 0.592 7.908 1.00 0.00 C ATOM 1015 O GLY A 181 0.359 1.157 8.067 1.00 0.00 O ATOM 0 H GLY A 181 4.476 0.000 8.590 1.00 0.00 H new ATOM 0 HA2 GLY A 181 2.365 1.599 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 181 3.221 1.773 8.035 1.00 0.00 H new ATOM 1019 N PHE A 182 1.604 -0.445 7.092 1.00 0.00 N ATOM 1020 CA PHE A 182 0.494 -0.987 6.318 1.00 0.00 C ATOM 1021 C PHE A 182 -0.384 -1.885 7.183 1.00 0.00 C ATOM 1022 O PHE A 182 -1.596 -1.954 6.987 1.00 0.00 O ATOM 1023 CB PHE A 182 1.014 -1.771 5.110 1.00 0.00 C ATOM 1024 CG PHE A 182 -0.079 -2.261 4.201 1.00 0.00 C ATOM 1025 CD1 PHE A 182 -0.636 -1.421 3.251 1.00 0.00 C ATOM 1026 CD2 PHE A 182 -0.551 -3.560 4.301 1.00 0.00 C ATOM 1027 CE1 PHE A 182 -1.644 -1.867 2.415 1.00 0.00 C ATOM 1028 CE2 PHE A 182 -1.559 -4.012 3.467 1.00 0.00 C ATOM 1029 CZ PHE A 182 -2.106 -3.163 2.524 1.00 0.00 C ATOM 0 H PHE A 182 2.492 -0.926 6.950 1.00 0.00 H new ATOM 0 HA PHE A 182 -0.109 -0.151 5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 182 1.694 -1.137 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 182 1.594 -2.624 5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 182 -0.279 -0.406 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 182 -0.128 -4.227 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 182 -2.069 -1.202 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 182 -1.918 -5.027 3.553 1.00 0.00 H new ATOM 0 HZ PHE A 182 -2.894 -3.513 1.873 1.00 0.00 H new ATOM 1039 N ASN A 183 0.237 -2.571 8.138 1.00 0.00 N ATOM 1040 CA ASN A 183 -0.490 -3.465 9.034 1.00 0.00 C ATOM 1041 C ASN A 183 -1.529 -2.696 9.844 1.00 0.00 C ATOM 1042 O ASN A 183 -2.500 -3.271 10.333 1.00 0.00 O ATOM 1043 CB ASN A 183 0.483 -4.177 9.976 1.00 0.00 C ATOM 1044 CG ASN A 183 -0.210 -5.176 10.885 1.00 0.00 C ATOM 1045 OD1 ASN A 183 0.222 -5.405 12.015 1.00 0.00 O ATOM 1046 ND2 ASN A 183 -1.291 -5.778 10.399 1.00 0.00 N ATOM 0 H ASN A 183 1.241 -2.525 8.311 1.00 0.00 H new ATOM 0 HA ASN A 183 -1.007 -4.208 8.426 1.00 0.00 H new ATOM 0 HB2 ASN A 183 1.241 -4.693 9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 183 1.001 -3.436 10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -1.795 -6.458 10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -1.616 -5.560 9.457 1.00 0.00 H new ATOM 1053 N THR A 184 -1.314 -1.391 9.979 1.00 0.00 N ATOM 1054 CA THR A 184 -2.228 -0.537 10.728 1.00 0.00 C ATOM 1055 C THR A 184 -2.977 0.413 9.797 1.00 0.00 C ATOM 1056 O THR A 184 -3.442 1.472 10.220 1.00 0.00 O ATOM 1057 CB THR A 184 -1.477 0.291 11.787 1.00 0.00 C ATOM 1058 OG1 THR A 184 -0.496 1.120 11.153 1.00 0.00 O ATOM 1059 CG2 THR A 184 -0.801 -0.615 12.805 1.00 0.00 C ATOM 0 H THR A 184 -0.514 -0.902 9.579 1.00 0.00 H new ATOM 0 HA THR A 184 -2.941 -1.194 11.226 1.00 0.00 H new ATOM 0 HB THR A 184 -2.201 0.917 12.308 1.00 0.00 H new ATOM 0 HG1 THR A 184 -0.023 1.645 11.832 1.00 0.00 H new ATOM 0 HG21 THR A 184 -0.277 -0.007 13.542 1.00 0.00 H new ATOM 0 HG22 THR A 184 -1.553 -1.224 13.306 1.00 0.00 H new ATOM 0 HG23 THR A 184 -0.087 -1.264 12.297 1.00 0.00 H new ATOM 1067 N PHE A 185 -3.096 0.024 8.531 1.00 0.00 N ATOM 1068 CA PHE A 185 -3.782 0.845 7.539 1.00 0.00 C ATOM 1069 C PHE A 185 -4.783 0.020 6.734 1.00 0.00 C ATOM 1070 O PHE A 185 -5.806 0.539 6.284 1.00 0.00 O ATOM 1071 CB PHE A 185 -2.762 1.493 6.599 1.00 0.00 C ATOM 1072 CG PHE A 185 -3.383 2.311 5.501 1.00 0.00 C ATOM 1073 CD1 PHE A 185 -3.907 3.566 5.764 1.00 0.00 C ATOM 1074 CD2 PHE A 185 -3.440 1.823 4.206 1.00 0.00 C ATOM 1075 CE1 PHE A 185 -4.478 4.319 4.755 1.00 0.00 C ATOM 1076 CE2 PHE A 185 -4.011 2.571 3.193 1.00 0.00 C ATOM 1077 CZ PHE A 185 -4.530 3.820 3.468 1.00 0.00 C ATOM 0 H PHE A 185 -2.726 -0.855 8.168 1.00 0.00 H new ATOM 0 HA PHE A 185 -4.332 1.623 8.067 1.00 0.00 H new ATOM 0 HB2 PHE A 185 -2.097 2.130 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 185 -2.145 0.712 6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 185 -3.869 3.961 6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 185 -3.034 0.847 3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 185 -4.883 5.296 4.973 1.00 0.00 H new ATOM 0 HE2 PHE A 185 -4.051 2.178 2.188 1.00 0.00 H new ATOM 0 HZ PHE A 185 -4.976 4.406 2.678 1.00 0.00 H new ATOM 1087 N LEU A 186 -4.489 -1.264 6.556 1.00 0.00 N ATOM 1088 CA LEU A 186 -5.366 -2.149 5.797 1.00 0.00 C ATOM 1089 C LEU A 186 -6.593 -2.547 6.619 1.00 0.00 C ATOM 1090 O LEU A 186 -6.559 -2.522 7.850 1.00 0.00 O ATOM 1091 CB LEU A 186 -4.591 -3.390 5.313 1.00 0.00 C ATOM 1092 CG LEU A 186 -4.356 -4.518 6.336 1.00 0.00 C ATOM 1093 CD1 LEU A 186 -3.893 -3.974 7.681 1.00 0.00 C ATOM 1094 CD2 LEU A 186 -5.607 -5.368 6.495 1.00 0.00 C ATOM 0 H LEU A 186 -3.652 -1.714 6.926 1.00 0.00 H new ATOM 0 HA LEU A 186 -5.722 -1.608 4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 186 -5.126 -3.812 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 186 -3.619 -3.059 4.946 1.00 0.00 H new ATOM 0 HG LEU A 186 -3.556 -5.150 5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 186 -3.739 -4.801 8.374 1.00 0.00 H new ATOM 0 HD12 LEU A 186 -2.957 -3.430 7.551 1.00 0.00 H new ATOM 0 HD13 LEU A 186 -4.651 -3.301 8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 186 -5.420 -6.159 7.222 1.00 0.00 H new ATOM 0 HD22 LEU A 186 -6.430 -4.743 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 186 -5.869 -5.812 5.535 1.00 0.00 H new